1-(2-cyclohexylethyl)-N-ethyl-N-(pyridin-4-ylmethyl)triazole-4-carboxamide

C19H27N5O — CID 56896465

IUPAC1-(2-cyclohexylethyl)-N-ethyl-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cn(CCC2CCCCC2)nn1
InChIInChI=1S/C19H27N5O/c1-2-23(14-17-8-11-20-12-9-17)19(25)18-15-24(22-21-18)13-10-16-6-4-3-5-7-16/h8-9,11-12,15-16H,2-7,10,13-14H2,1H3
InChIKeyGILOQJQTAIHZSJ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.31
Rot. Bonds7

About 1-(2-cyclohexylethyl)-N-ethyl-N-(pyridin-4-ylmethyl)triazole-4-carboxamide

1-(2-cyclohexylethyl)-N-ethyl-N-(pyridin-4-ylmethyl)triazole-4-carboxamide (PubChem CID 56896465) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-N-ethyl-N-(pyridin-4-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-N-ethyl-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
PubChem CID56896465
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-(2-cyclohexylethyl)-N-ethyl-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cn(CCC2CCCCC2)nn1
InChIInChI=1S/C19H27N5O/c1-2-23(14-17-8-11-20-12-9-17)19(25)18-15-24(22-21-18)13-10-16-6-4-3-5-7-16/h8-9,11-12,15-16H,2-7,10,13-14H2,1H3
InChIKeyGILOQJQTAIHZSJ-UHFFFAOYSA-N
XLogP3.31
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 6863602
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CID 862116
CID 862116
CID 46231562
CID 46231562
CID 49836179
CID 49836179
CID 53378704
CID 53378704
CID 53378705
CID 53378705
CID 69925113
CID 69925113
CID 1275683
CID 1275683
CID 644529
CID 644529

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-N-ethyl-N-(pyridin-4-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-(2-cyclohexylethyl)-N-ethyl-N-(pyridin-4-ylmethyl)triazole-4-carboxamide (CID 56896465) is 1-(2-cyclohexylethyl)-N-ethyl-N-(pyridin-4-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyclohexylethyl)-N-ethyl-N-(pyridin-4-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(2-cyclohexylethyl)-N-ethyl-N-(pyridin-4-ylmethyl)triazole-4-carboxamide is CCN(Cc1ccncc1)C(=O)c1cn(CCC2CCCCC2)nn1.
What is the InChIKey of 1-(2-cyclohexylethyl)-N-ethyl-N-(pyridin-4-ylmethyl)triazole-4-carboxamide?
The InChIKey is GILOQJQTAIHZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-2-23(14-17-8-11-20-12-9-17)19(25)18-15-24(22-21-18)13-10-16-6-4-3-5-7-16/h8-9,11-12,15-16H,2-7,10,13-14H2,1H3.
What are the key properties of 1-(2-cyclohexylethyl)-N-ethyl-N-(pyridin-4-ylmethyl)triazole-4-carboxamide?
1-(2-cyclohexylethyl)-N-ethyl-N-(pyridin-4-ylmethyl)triazole-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-N-ethyl-N-(pyridin-4-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 56896465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).